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全面的植物化学成分分析、生物活性及分子对接研究:对天然产物开发潜力的深入了解。

Comprehensive Phytochemical Profiling, Biological Activities, and Molecular Docking Studies of : An Insight into Potential for Natural Products Development.

机构信息

Department of Pharmaceutical Chemistry, Faculty of Pharmacy, The Islamia University of Bahawalpur, Bahawalpur 63100, Pakistan.

Department of Pharmacognosy, College of Pharmacy, King Saud University, Riyadh 11495, Saudi Arabia.

出版信息

Molecules. 2022 Jun 26;27(13):4113. doi: 10.3390/molecules27134113.

Abstract

The purpose of this study was to find the biological propensities of the vegetable plant by investigating its phytochemical profile and biological activities. Phytochemical analysis was done by spectroscopic methods to investigate the amount of total polyphenols, and biological evaluation was done by the different antioxidant, enzyme inhibitory (tyrosinase, α-amylase, and α-glucosidase), thrombolytic, and antibacterial activities. The highest amount of total phenolic and flavonoid contents was observed in methanolic extract (240.69 ± 2.94 mg GAE/g and 167.59 ± 3.47 mg QE/g); the fractions showed comparatively less quantity (57.02 ± 1.31 to 144.02 ± 2.11 mg GAE/g, and 48.21 ± 0.75 to 96.58 ± 2.30 mg QE/g). The effect of these bioactive contents was also related to biological activities. GCMS analysis led to the identification of bioactive compounds with different biological effects from methanolic extract (antioxidant; 55.07%, antimicrobial; 56.41%), while the identified compounds from the -hexane fraction with antioxidant properties constituted 67.86%, and those with antimicrobial effects constituted 82.95%; however, the synergetic effect of polyphenols may also have contributed to the highest value of biological activities of methanolic extract. Molecular docking was also performed to understand the relationship of identified secondary metabolites with enzyme-inhibitory activities. The thrombolytic activity was also significant (40.18 ± 1.80 to 57.15 ± 1.10 % clot lysis) in comparison with streptokinase (78.5 ± 1.53 to 82.34 ± 1.25% clot lysis). Methanolic extract also showed good activity against Gram-positive strains of bacteria, and the highest activity was observed against . The findings of this study will improve our knowledge of phytochemistry, and biological activities of , which seems to be a ray of hope to design formulations of natural products for the improvement of health and prevention of chronic diseases; however, further research may address the development of novel drugs for use in pharmaceuticals.

摘要

本研究的目的是通过研究其植物化学特征和生物活性来发现蔬菜植物的生物学特性。通过光谱法进行植物化学分析,以研究总多酚的含量,通过不同的抗氧化、酶抑制(酪氨酸酶、α-淀粉酶和α-葡萄糖苷酶)、溶栓和抗菌活性进行生物评价。在甲醇提取物中观察到总酚和类黄酮含量最高(240.69±2.94 mg GAE/g 和 167.59±3.47 mg QE/g);各馏分的含量相对较低(57.02±1.31 至 144.02±2.11 mg GAE/g,和 48.21±0.75 至 96.58±2.30 mg QE/g)。这些生物活性物质的作用也与生物活性有关。GCMS 分析导致从甲醇提取物中鉴定出具有不同生物效应的生物活性化合物(抗氧化;55.07%,抗菌;56.41%),而从正己烷馏分中鉴定出具有抗氧化特性的化合物占 67.86%,具有抗菌作用的化合物占 82.95%;然而,多酚的协同作用也可能导致甲醇提取物具有最高的生物活性值。还进行了分子对接,以了解鉴定出的次生代谢物与酶抑制活性的关系。与链激酶(78.5±1.53 至 82.34±1.25%血块溶解)相比,溶栓活性也显著(40.18±1.80 至 57.15±1.10%血块溶解)。甲醇提取物对革兰氏阳性菌也表现出良好的活性,对的活性最高。本研究的结果将提高我们对的植物化学和生物活性的认识,这似乎为设计天然产物配方以改善健康和预防慢性疾病提供了希望;然而,进一步的研究可能会开发出用于制药的新型药物。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/986a/9268725/89b6cf655840/molecules-27-04113-g001.jpg

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